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Re^3: Freezing all torsion angles

Alex Granovsky
gran@classic.chem.msu.su


Hi,

if you meant whether is it possible to do this completely
automatically using e.g. DLCs, the answer is definitely NO.

regards,
Alex Granovsky

On Thu Apr 8 '10 8:22am, Khimich wrote
--------------------------------------
>>First of all, you need to use z-matrix

>Thanks for your reply. But, is it possible to do using internal coordinates?
>NZVAR = M
>$ Zmat dlc = 1 auto = 1 ...


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